chempirical

N-Boc-(2S,3S)-(-)-2-amino-3-methyl-1-pentanol

C11H23NO3CAS 106946-74-1217.31 g/mol

Open in Covalent MOL file
OHNHOO
AlcoholCarbamate

Properties

Molecular formula
C11H23NO3
Molar mass
217.31 g/mol
Exact mass
217.1678 Da
logP
1.92Crippen estimate
Polar surface area
58.6 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
4
Stereocentres
S, Sin SMILES atom order

Identifiers

CAS number
106946-74-1
SMILES
CC[C@H](C)[C@@H](CO)NC(=O)OC(C)(C)C
InChIKey
BPLDQMXXYMKQPW-DTWKUNHWSA-N
InChI
InChI=1S/C11H23NO3/c1-6-8(2)9(7-13)12-10(14)15-11(3,4)5/h8-9,13H,6-7H2,1-5H3,(H,12,14)/t8-,9+/m0/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with N-Boc-(2S,3S)-(-)-2-amino-3-methyl-1-pentanol

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Boc-D-valinol106391-87-169 % similar N-Boc-L-cyclohexylglycinol107202-39-160 % similar (S)-(-)-2-(Boc-amino)-1,4-butanediol128427-10-152 % similar (S)-tert-Butyl (1-hydroxypent-4-en-2-yl)carbamate116613-81-149 % similar tert-Butyl ((1R,2S)-2-fluorocyclopropyl)carbamate127199-16-049 % similar Boc-L-phenylglycinol117049-14-648 % similar Boc-trans-4-aminocyclohexanol111300-06-248 % similar tert-Butyl N-((2R)-1-hydroxy-3-phenylpropan-2-yl)carbamate106454-69-747 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Boc-D-leucinol106930-51-2

Elsewhere

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